SCHEMBL27655435

SCHEMBL27655435

COc1ccc(CNc2nc(CCC(=O)C=O)nc3sc(C)c(Cl)c23)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ APP P05067 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CHRM4 P08173 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ STAT1 P42224 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27655438 0.94 PDE5A (0.41) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL27675451 0.91 GAA (0.43) ACHELMNAAPPSMN1; SMN2KDM4E
SCHEMBL27675471 0.87 KDM4E (0.43) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL27655596 0.85 KDM4E (0.47) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL27655553 0.85 KDM4E (0.40) LMNASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL27655448 0.84 ESR1 (0.43) ACHETSHRLMNAAPPSMN1; SMN2
SCHEMBL27675572 0.84 ACHE (0.47) ACHETSHRLMNAAPPSMN1; SMN2
SCHEMBL27675431 0.83 ACHE (0.48) ACHEAPPEGFRKDRKMT2A
SCHEMBL27675464 0.82 PDE4A (0.45) ALDH1A1EGFRKMT2AMAPTGAA
SCHEMBL5131031 0.80 TSHR (0.48) ACHETSHRLMNAAPPSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1875023-A Use of thienopyrimidines MERCK PATENT GMBH (DE) 2006-12-06 — — CN disclosed
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